Molecule ID: mol14729
SMILES: CN(C)CCCNc1ccnc2ccc([N+](=O)[O-])cc12
InChI: InChI=1S/C14H18N4O2/c1-17(2)9-3-7-15-14-6-8-16-13-5-4-11(18(19)20)10-12(13)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.99 | QSARToolbox | 2 » 1 |
| 6.99 | OCHEM | 2 » 1 |
| 6.99 | Datawarrior | 2 » 1 |
| 6.99 | OCHEM | 2 » 1 |
| 6.99 | Baltruschat ChEMBL | 2 » 1 |